Virtual Screening to Identify Protein Targets of Aggregatibacter Actinomycetemcomitans Interacting with Emodin

Abstract

Aim: The aim of the study is to identify protein targets of aggregatibacter actinomycetemcomitans interacting with emodin. Introduction: Aggregatibacter mycetemcomitans is a gram negative bacteria that is associated with localized chronic periodontitis and other systemic diseases. The organism produces a number of virulence factors which provides some benefits to the bacterium. In this study, protein targets of Aggregatibacter actinomycetemcomitans interacting with emodin were identified. Methodology: The present study follows an observational study design wherein we employed computational tools used to identify the targets, assess its functional role and virulence property. The protein targets in the bacteria were identified by virtual screening by using emodin as the compound. Results: Peptide epitopes present in the virulence factors were identified using the BepiPred tool. The subcellular location of the protein targets were elucidated using emodin as the phytocompound. The 3 - Deoxy - D - manno octulosonic acid, ArcB, hypothetical protein and Arabinose - 5 - phosphate isomerase were found to be virulent. Conclusion: Within the limits of this study, it provides substantial evidence on the protein targets acting against emodin.